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Ligand

NameCHEMBL11033
Molecular formulaC13H13N5O2
IUPAC name8-(3-aminophenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight271.28
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.5
Synonyms8-(3-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
BDBM50020849
Inchi KeyYHFUPFABICLMEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,14H2,1-2H3,(H,15,16)
PubChem CID13525051
ChEMBLCHEMBL11033
IUPHARN/A
BindingDB50020849
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
410171Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
410173Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
410172Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409

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